1-(aminomethyl)-2-[2-(3,3,3-trifluoropropoxy)ethyl]cyclopentan-1-ol

C11H20F3NO2 — CID 82957535

IUPAC1-(aminomethyl)-2-[2-(3,3,3-trifluoropropoxy)ethyl]cyclopentan-1-ol
SMILESNCC1(O)CCCC1CCOCCC(F)(F)F
InChIInChI=1S/C11H20F3NO2/c12-11(13,14)5-7-17-6-3-9-2-1-4-10(9,16)8-15/h9,16H,1-8,15H2
InChIKeyADOIDPDSUWHXHN-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.84
Rot. Bonds6

About 1-(aminomethyl)-2-[2-(3,3,3-trifluoropropoxy)ethyl]cyclopentan-1-ol

1-(aminomethyl)-2-[2-(3,3,3-trifluoropropoxy)ethyl]cyclopentan-1-ol (PubChem CID 82957535) has the molecular formula C11H20F3NO2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 1-(aminomethyl)-2-[2-(3,3,3-trifluoropropoxy)ethyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-(aminomethyl)-2-[2-(3,3,3-trifluoropropoxy)ethyl]cyclopentan-1-ol
PubChem CID82957535
Molecular FormulaC11H20F3NO2
Molecular Weight255.28 g/mol
Exact Mass255.14
IUPAC Name1-(aminomethyl)-2-[2-(3,3,3-trifluoropropoxy)ethyl]cyclopentan-1-ol
SMILESNCC1(O)CCCC1CCOCCC(F)(F)F
InChIInChI=1S/C11H20F3NO2/c12-11(13,14)5-7-17-6-3-9-2-1-4-10(9,16)8-15/h9,16H,1-8,15H2
InChIKeyADOIDPDSUWHXHN-UHFFFAOYSA-N
XLogP1.84
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-2-[2-(3,3,3-trifluoropropoxy)ethyl]cyclopentan-1-ol?
The IUPAC name of 1-(aminomethyl)-2-[2-(3,3,3-trifluoropropoxy)ethyl]cyclopentan-1-ol (CID 82957535) is 1-(aminomethyl)-2-[2-(3,3,3-trifluoropropoxy)ethyl]cyclopentan-1-ol.
What is the SMILES notation for 1-(aminomethyl)-2-[2-(3,3,3-trifluoropropoxy)ethyl]cyclopentan-1-ol?
The canonical SMILES for 1-(aminomethyl)-2-[2-(3,3,3-trifluoropropoxy)ethyl]cyclopentan-1-ol is NCC1(O)CCCC1CCOCCC(F)(F)F.
What is the InChIKey of 1-(aminomethyl)-2-[2-(3,3,3-trifluoropropoxy)ethyl]cyclopentan-1-ol?
The InChIKey is ADOIDPDSUWHXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO2/c12-11(13,14)5-7-17-6-3-9-2-1-4-10(9,16)8-15/h9,16H,1-8,15H2.
What are the key properties of 1-(aminomethyl)-2-[2-(3,3,3-trifluoropropoxy)ethyl]cyclopentan-1-ol?
1-(aminomethyl)-2-[2-(3,3,3-trifluoropropoxy)ethyl]cyclopentan-1-ol has a molecular weight of 255.28 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-2-[2-(3,3,3-trifluoropropoxy)ethyl]cyclopentan-1-ol is sourced from PubChem (CID 82957535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).